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dc.creatorŠoškić, Vukić
dc.creatorŠukalović, Vladimir
dc.creatorKostić Rajačić, Slađana
dc.date.accessioned2019-01-30T17:43:28Z
dc.date.available2019-01-30T17:43:28Z
dc.date.issued2015
dc.identifier.issn1389-5575
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/1619
dc.description.abstractThe crystal structures of the D3 dopamine receptor and several other G-protein coupled receptors (GPCRs) were published in recent times. Those 3D structures are used by us and other scientists as a template for the homology modeling and ligand docking analysis of related GPCRs. Our main scientific interest lies in the field of pharmacologically active N-arylpiperazines that exhibit antipsychotic and/or antidepressant properties, and as such are dopaminergic and serotonergic receptor ligands. In this short review article we are presenting synthesis and biological data on the new N-arylpipereazine as well our results on molecular modeling of the interactions of those N-arylpiperazines with the model of D2 dopamine receptors. To obtain that model the crystal structure of the D3 dopamine receptor was used. Our results show that the N-arylpiperazines binding site consists of two pockets: one is the orthosteric binding site where the N-arylpiperazine part of the ligand is docked and the second is a non-canonical accessory binding site for N-arylpipereazine that is formed by a second extracellular loop (ecl2) of the receptor. Until now, the structure of this receptor region was unresolved in crystal structure analyses of the D3 dopamine receptor. To get a more complete picture of the ligand - receptor interaction, DFT quantum mechanical calculations on N-arylpiperazine were performed and the obtained models were used to examine those interactions.en
dc.publisherBentham Science Publ Ltd, Sharjah
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172032/RS//
dc.rightsrestrictedAccess
dc.sourceMini-Reviews in Medicinal Chemistry
dc.subjectDopamine D2 receptoren
dc.subjectG-protein coupled receptorsen
dc.subjectmolecular modellingen
dc.subjectN-arylpiperazinesen
dc.titleExploration of N-arylpiperazine Binding Sites of D2 Dopaminergic Receptoren
dc.typearticle
dc.rights.licenseARR
dcterms.abstractКостић Рајачић, Слађана; Соскиц, Вукиц; Шукаловић, Владимир;
dc.citation.volume15
dc.citation.issue12
dc.citation.spage988
dc.citation.epage1001
dc.citation.other15(12): 988-1001
dc.citation.rankM22
dc.identifier.pmid25723457
dc.identifier.doi10.2174/138955751512150731112448
dc.identifier.rcubConv_3376
dc.identifier.scopus2-s2.0-84939832374
dc.identifier.wos000358803500005
dc.type.versionpublishedVersion


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